Monomers
Triallyl citrate
Identifiers
IUPAC name
tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate
InchI
InChI=1S/C15H20O7/c1-4-7-20-12(16)10-15(19,14(18)22-9-6-3)11-13(17)21-8-5-2/h4-6,19H,1-3,7-11H2
InchI Key
PLCFYBDYBCOLSP-UHFFFAOYSA-N
SMILES
C=CCOC(=O)C(CC(=O)OCC=C)(CC(=O)OCC=C)O
Canonical SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Isomeric SMILES
C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C15H20O7
Heavy Atom Count
22
Molecular Weight
312.318
Exact Molecular Weight
312.1209
Valence Electrons
122
Radical Electrons
0
tPSA
99.13
MolLogP
0.6853
H Bond Acceptors
7
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
42 41 0 0 0 0 0 0 0 0999 V2000
2.2363 4.1798 -2.4527 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0764 3.7970 -1.2057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8216 2.6564 -0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0418 1.5851 -0.2193 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1440 0.8780 -0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0441 1.2450 -2.1964 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3242 -0.2476 -0.5192 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7235 -1.5108 -1.2458 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0359 -2.6912 -0.8346 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2308 -2.9370 -1.1831 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5509 -3.6392 -0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1029 -4.8070 0.4463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8384 -5.5690 1.3053 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0484 -5.0930 1.5123 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1509 -0.0075 -0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6064 1.1831 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7629 1.8174 0.7606 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9129 1.6265 0.0837 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4189 2.7283 0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3347 2.6425 2.2473 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8494 1.6600 2.9577 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5966 -0.4345 0.8339 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9153 3.6827 -3.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6781 5.0276 -2.8232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3925 4.3364 -0.5802 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5075 2.2291 -1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4544 2.9762 0.1891 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8005 -1.6859 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5264 -1.3469 -2.3404 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0305 -4.5886 1.0154 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4100 -5.4642 -0.3962 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5290 -6.5163 1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4160 -4.1682 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7267 -5.6529 2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4712 0.1170 -1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6821 -0.8766 -0.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5043 2.8342 0.4772 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9331 3.6942 0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7326 3.5192 2.7937 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4231 0.7336 2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8511 1.7330 4.0608 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0512 0.3541 1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 1 0
13 14 2 3
7 15 1 0
15 16 1 0
16 17 2 0
16 18 1 0
18 19 1 0
19 20 1 0
20 21 2 3
7 22 1 0
1 23 1 0
1 24 1 0
2 25 1 0
3 26 1 0
3 27 1 0
8 28 1 0
8 29 1 0
12 30 1 0
12 31 1 0
13 32 1 0
14 33 1 0
14 34 1 0
15 35 1 0
15 36 1 0
19 37 1 0
19 38 1 0
20 39 1 0
21 40 1 0
21 41 1 0
22 42 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers